SCHEMBL16635231

SCHEMBL16635231

NCCc1ccnc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.50
TAAR1 Q96RJ0 9/20 0.48
HTR2A P28223 2/20 0.45
DRD2 P14416 3/20 0.41
DRD1 P21728 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ADRA2A P08913 2/20 0.41
MAPT P10636 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
SLC6A2 P23975 2/20 0.41
MAPK1 P28482 2/20 0.41
DRD3 P35462 2/20 0.41
RECQL P46063 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PNMT P11086 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
ADRB2 P07550 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL14157208 0.98 LOXL2 (0.48) LOXL2TAAR1HTR2ADRD2DRD1
SCHEMBL1419550 0.88 HRH1 (0.46) LOXL2TAAR1CYP2D6LOXLOXL3
SCHEMBL1875703 0.83
SCHEMBL30399820 0.83
Hydrochloric Acid SCHEMBL13387434 0.81 LOXL2 (0.55) LOXL2ADRB2LOXLOXL3PARP1
SCHEMBL17242282 0.81 TDP1 (0.39) LOXL2RECQLTDP1LOXLOXL3
SCHEMBL30527951 0.81 TDP1 (0.39) LOXL2RECQLTDP1LOXLOXL3
Hydrochloric Acid SCHEMBL3288265 0.81 LOXL2 (0.55) LOXL2ADRB2LOXLOXL3PARP1
SCHEMBL26930608 0.80 LOXL2 (0.37) LOXL2KDM4EMAPTLOXLOXL3
SCHEMBL1870454 0.79 KDM4E (0.42) LOXL2KDM4EMAPTRECQLTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118647270-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-09-13 CN claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
CN-118647270-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-09-13 CN disclosed
US-20240284907-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2024-08-29 US disclosed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
EP-3055302-B1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-10-04 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
EP-3055302-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LOXL2 2972/4885TAAR1 402/4885HTR2A 220/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LOXL2 2972/4885TAAR1 402/4885HTR2A 220/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LOXL2 2972/4885TAAR1 402/4885HTR2A 220/4885
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 LOXL2 3346/4885TAAR1 389/4885HTR2A 467/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LOXL2 2972/4885TAAR1 402/4885HTR2A 220/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 LOXL2 2972/4885TAAR1 402/4885HTR2A 220/4885
US-20240284907-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES DDT, DDC, GLUL LOXL2 1981/4885TAAR1 3701/4885HTR2A 1839/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.